I'm just wondering if we can put such timing exercises as these on a general web/wiki page somewhere for ease of comparison? thanks, Michael
http://www.rcs.manchester.ac.uk/mkbane
On 14 Jun 2010, at 20:09, Sasha Buzko wrote:
> Hi Ross,
> I ran the Factor IX benchmark with your input file on a GTX480.
> Surprisingly, it's not significantly slower than your C2050 test, at
> least with this system.
> With your input, it completed in 956.84 s total time, or about 1.806
> ns/day (DPDP mode). The SPSP version finished in 239.8 s (7.206 ns/day).
> And the default SPDP version took 257.41 s or 6.713 ns/day.
>
> For the sake of completeness, the GTX480 is on a desktop with dual
> dual-core Xeon 5160 (3.00 GHz) and 8 GB of RAM.
>
> Sasha
>
>
> Ross Walker wrote:
>> Hi Sahsa
>>
>>
>>> has anyone compared performance of pmemd.cuda in DPDP mode on GTX480
>>> and
>>> C2050?
>>> Tesla cards are supposed to have a better double precision performance,
>>> but how much better in the event of an all-double pmemd code?
>>> Thanks for any info
>>>
>>
>> I don't have a GTX480 so have not been able to compare the differences,
>> however, here are the numbers for C2050, I'd be interested to see the
>> difference.
>>
>> FACTOR - IX
>>
>> NVE 128x64x64 FFT
>> Typical Production MD NVE with
>> GOOD energy conservation.
>> &cntrl
>> ntx=5, irest=1,
>> ntc=2, ntf=2, tol=0.000001,
>> nstlim=10000,
>> ntpr=1000, ntwx=1000,
>> ntwr=10000,
>> dt=0.002, cut=8.,
>> ntt=0, ntb=1, ntp=0,
>> ioutfm=1,
>> /
>> &ewald
>> dsum_tol=0.000001,nfft1=128,nfft2=64,nfft3=64,
>>
>> /
>>
>>
>> SPSP SPDP (Default) DPDP
>> Specs Time (s) NS/day Time (s) NS/day Time (s)
>> NS/day
>> 8 proc N/A N/A 1034 1.671179884
>> GTX295 395.46 4.369594902 525.6 3.287671233 2469.18 0.699827473
>> C1060 366.25 4.718088737 492.84 3.506208912 2354.73 0.733842097
>> C2050 311.34 5.550202351 333.04 5.188565938 706.98 2.44419927
>>
>>
>>
>>
>> Myoglobin = 2492 atoms
>>
>> &cntrl
>> imin=0,irest=1,ntx=5,
>> nstlim=10000,dt=0.002,ntb=0,
>> ntf=2,ntc=2,tol=0.000001,
>> ntpr=1000, ntwx=1000, ntwr=50000,
>>
>> cut=9999.0, rgbmax=15.0,
>> igb=1,ntt=0,nscm=0,
>> /
>>
>> SPSP SPDP (Default) DPDP
>> Specs Time (s) NS/day Time (s) NS/day Time (s)
>> NS/day
>> 8 proc N/A N/A 395.73 4.3666136
>> GTX295 39.62 43.61433619 64.99 26.58870595 3.0 Compiler bug
>> #VALUE!
>> C1060 37.79 45.72638264 61.94 27.89796577 3.0 Compiler bug
>> #VALUE!
>> C2050 31.39 55.04937878 34.6 49.94219653 155.7 11.0982659
>>
>> All the best
>> Ross
>>
>>
>>
>>
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Received on Mon Jun 14 2010 - 13:00:03 PDT
